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arXiv · 1610.07234

Indirect Interactions Between Proton Donors Separated by Several Hydrogen Bonds

Takaya Ogawa·Hidenori Ohashi·Takanori Tamaki·Takeo Yamaguchi
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Abstract

We expand the definition of our recently proposed proton conduction mechanism, the packed-acid mechanism, which occurs under conditions of concentrated proton donors. The original definition stated that acid-acid interactions, which help overcome the barrier of the rate-determining step, occur only when a hydrogen bond is formed directly between proton donors. Here, it is shown that proton donors can interact with each other even when the donors are separated via several H-bonds. The effect of these interactions on proton diffusivity is confirmed by ab initio calculations.

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Takaya Ogawa, Hidenori Ohashi, Takanori Tamaki, Takeo Yamaguchi. 2016-10-23. Indirect Interactions Between Proton Donors Separated by Several Hydrogen Bonds. https://arxiv.org/abs/1610.07234

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